Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8601821 | 0.85 | MAPT (0.48) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL29110818 | 0.81 | L3MBTL1 (0.41) | ALDH1A1TP53L3MBTL1KDM4ESLC6A2 | |
| SCHEMBL16914897 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL29110821 | 0.79 | SLC2A1 (0.43) | ALDH1A1MAPK1TP53L3MBTL1TSHR | |
| SCHEMBL6723886 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL22570955 | 0.77 | CHRNB2 (0.45) | ALDH1A1MAPTKDM4EKMT2ACYP2D6 | |
| SCHEMBL1537864 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL10955815 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL624324 | 0.76 | CYP3A4 (0.41) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL1924408 | 0.74 | TDP1 (0.52) | ALDH1A1TDP1CYP3A4MAPK1TP53 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10787461-B2 | Pyrimido-diazepinone compounds and methods of treating disorders | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-09-29 | — | — | US | disclosed |
| US-20200071340-A1 | PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-03-05 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20200071340-A1 | PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS | BRSK2, GRK3, BRSK1 | ALDH1A1 4309/4885TDP1 898/4885CYP3A4 4055/4885 |
| US-10787461-B2 | Pyrimido-diazepinone compounds and methods of treating disorders | BRSK2, GRK3, BRSK1 | ALDH1A1 4309/4885TDP1 898/4885CYP3A4 4055/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.